ChemDB: Chemical Search
Download
Chemical ID: 6299448
Chemical ID:
6299448
Name [?]:
5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxylic acid
SMILES [?]:
c1cc(c(c(c1)Cl)Cl)OCc2ccc(o2)C(=O)O
InChi [?]:
InChI=1/C12H8Cl2O4/c13-8-2-1-3-9(11(8)14)17-6-7-4-5-10(18-7)12(15)16/h1-5H,6H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,6,2,12,13,10,11,5,3,14,4,16,7,8,17,18,9,15/E:(15,16)/rA:18nCCCCCCClClOCCCCCOCOO/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;s9;s10;d11;s12;d13;s11s14;s14;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H8Cl2O4 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.5972 |
Area: | 465.283 |
Solvation: | -4.03489 |
Coulombic: | -44.7104 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 287.095 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.22 |
LogP (Chemaxon): | 2.83 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|